(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide

C34H59NO5Si3 — CID 134958709

IUPAC(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
SMILESCC[Si](CC)(CC)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@](C)(CC(=O)N(C)OC)O[Si](C)(C)C
InChIInChI=1S/C34H59NO5Si3/c1-13-42(14-2,15-3)39-29(26-34(7,40-41(10,11)12)27-32(36)35(8)37-9)28-38-43(33(4,5)6,30-22-18-16-19-23-30)31-24-20-17-21-25-31/h16-25,29H,13-15,26-28H2,1-12H3/t29-,34+/m0/s1
InChIKeyWLAUHWANDAAQFF-ZBWWXOROSA-N
MW646.11 g/mol
LogP7.36
Rot. Bonds17

About (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide

(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide (PubChem CID 134958709) has the molecular formula C34H59NO5Si3 and a molecular weight of 646.11 g/mol. Its IUPAC name is (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide.

Molecular Properties

Compound Name(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
PubChem CID134958709
Molecular FormulaC34H59NO5Si3
Molecular Weight646.11 g/mol
Exact Mass645.37
IUPAC Name(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
SMILESCC[Si](CC)(CC)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@](C)(CC(=O)N(C)OC)O[Si](C)(C)C
InChIInChI=1S/C34H59NO5Si3/c1-13-42(14-2,15-3)39-29(26-34(7,40-41(10,11)12)27-32(36)35(8)37-9)28-38-43(33(4,5)6,30-22-18-16-19-23-30)31-24-20-17-21-25-31/h16-25,29H,13-15,26-28H2,1-12H3/t29-,34+/m0/s1
InChIKeyWLAUHWANDAAQFF-ZBWWXOROSA-N
XLogP7.36
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.11
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(tert-Butyl-diphenyl-silanyloxy)-5-methoxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844799
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
2-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]-N-methoxy-N-methylacetamide
CID 140196486
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methyloxane-3-carboxamide
CID 168155974
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide
CID 10532549
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide
CID 10790196
(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
CID 10896388
(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide
CID 10963458
(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide
CID 11468066
(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide
CID 11613771
(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide
CID 12000393
(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide
CID 42604024

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide?
The IUPAC name of (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide (CID 134958709) is (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide.
What is the SMILES notation for (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide?
The canonical SMILES for (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide is CC[Si](CC)(CC)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@](C)(CC(=O)N(C)OC)O[Si](C)(C)C.
What is the InChIKey of (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide?
The InChIKey is WLAUHWANDAAQFF-ZBWWXOROSA-N. The full InChI is InChI=1S/C34H59NO5Si3/c1-13-42(14-2,15-3)39-29(26-34(7,40-41(10,11)12)27-32(36)35(8)37-9)28-38-43(33(4,5)6,30-22-18-16-19-23-30)31-24-20-17-21-25-31/h16-25,29H,13-15,26-28H2,1-12H3/t29-,34+/m0/s1.
What are the key properties of (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide?
(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide has a molecular weight of 646.11 g/mol, XLogP of 7.36, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide is sourced from PubChem (CID 134958709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).